Search MNXref
 Feedback

(S)-2,3-epoxysqualene

MNXM130 is deprecated and here replaced by MNXM727928
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727928 Image of MNXM727928
referencechebi:15441
formulaC30H50O
global charge0
mol weight426.729
InChIKeyQYIMSPSDBYKPPY-RSKUXYSASA-N
InChIInChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C
MNX internals
InChI (mnx)InChI=1/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1 Image of MNXM727928
SMILES (mnx)[CH3:1][C:24]([CH3:2])=[CH:14][CH2:11][CH2:17]/[C:27]([CH3:5])=[CH:20]/[CH2:12][CH2:18]/[C:25]([CH3:3])=[CH:15]/[CH2:9][CH2:10]/[CH:16]=[C:26](\[CH3:4])[CH2:19][CH2:13]/[CH:21]=[C:28](\[CH3:6])[CH2:22][CH2:23][C@H:29]1[C:30]([CH3:7])([CH3:8])[O:31]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)55
in models (compartimentalized) 24
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-191309
reactomeM:R-ALL-191309
CHEBI:15441
chebi:15441
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(S)-2,3-epoxysqualene
(3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
(3S)-2,3-dihydro-2,3-epoxysqualene
(3S)-2,3-epoxy-2,3-dihydrosqualene
(S)-2,3-Epoxysqualene
(S)-2,3-dihydro-2,3-epoxysqualene
(S)-2,3-epoxy-2,3-dihydrosqualene
(S)-2,3-oxidosqualene
(S)-Squalene-2,3-epoxide
(S)-squalene-2,3-epoxide
2,3-EDSQ
2,3-epoxisqualene
2,3-oxidosqualene
Squalene 2,3-epoxide
Squalene 2,3-oxide
oxidosqualene

metacyc.compound:EPOXYSQUALENE
metacycM:EPOXYSQUALENE
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(3S)-2,3-epoxy-2,3-dihydrosqualene
(3S)-2,3-epoxysqualene
(S)-squalene-2,3-epoxide
2,3-EDSQ
2,3-epoxisqualene
2,3-oxidosqualene
oxidosqualene
squalene 2,3-epoxide
squalene 2,3-oxide
hmdb:HMDB0001188
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(S)-2,3-Epoxysqualene
(+/-)-2,3-epoxysqualene
(+/-)-squalene oxide
(3R,S)-Oxidosqualene
(3S)-2,2-Dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaen-1-yl]oxirane
(3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
(3S)-2,3-Dihydro-2,3-epoxysqualene
(3S)-2,3-Epoxy-2,3-dihydrosqualene
(3S)-2,3-Epoxysqualene
(3S)-2,3-Oxidosqualene
(3S)-Oxidosqualene
(3S)-Squalene-2,3-epoxide
(R,S)-Squalene 2,3-epoxide
(RS)-2,3-Epoxy-2,3-dihydrosqualene
(S)-2,3-Dihydro-2,3-epoxysqualene
(S)-2,3-Epoxy-2,3-dihydrosqualene
(S)-2,3-Oxidosqualene
(S)-Squalene 2,3-epoxide
(S)-Squalene-2,3-epoxide
2,3(S)-Oxidosqualene
2,3-EDSQ
2,3-Epoxisqualene
2,3-Epoxy-2,3-dihydrosqualene
2,3-Epoxysqualene
2,3-Oxidosqualene
2,3-Oxidosqualene, (R)-isomer
2,3-Oxidosqualene, (R-(all-e))-isomer
2,3-Oxidosqualene, (S)-isomer
2,3-Oxidosqualene, (S-(all-e))-isomer
2,3-Oxidosqualene, (all-e)-(+-)-isomer
3(S)-Oxidosqualene
Oxidosqualene
Squalene 2,3(S)-oxide
Squalene 2,3-epoxide
Squalene 2,3-oxide
Squalene epoxide
Squalene monohydroperoxide
Squalene oxide
Squalene peroxide
Squalene-2,3-epoxide
Squalene-2,3-oxide
Squslene oxide
squalene 2,3-oxide

kegg.compound:C01054
keggC:C01054
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(S)-2,3-Epoxysqualene
(3S)-2,3-Epoxy-2,3-dihydrosqualene
(S)-Squalene-2,3-epoxide
2,3-Oxidosqualene
Squalene 2,3-epoxide
Squalene 2,3-oxide

sabiork.compound:5375
sabiorkM:5375
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(S)-2,3-Epoxysqualene
(S)-Squalene-2,3-epoxide
Squalene 2,3-epoxide
Squalene 2,3-oxide

SLM:000000310
slm:000000310 		(S)-2,3-epoxysqualene

vmhM:Ssq23epx
vmhmetabolite:Ssq23epx
QYIMSPSDBYKPPY-RSKUXYSASA-N 		(S)-2,3-epoxysqualene
(3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane

lipidmaps:LMPR0106010010
lipidmapsM:LMPR0106010010
QYIMSPSDBYKPPY-RSKUXYSASA-N 		3S-squalene-2,3-epoxide
(S)-2,3-epoxysqualene
2,3S-epoxy-2,6,10,15,19,23-hexamethyltetracosa-6E,10E,14E,18E,22-pentaene

bigg.metabolite:Ssq23epx
biggM:Ssq23epx
QYIMSPSDBYKPPY-RSKUXYSASA-N 		S Squalene 2 3 epoxide

seed.compound:cpd00776
seedM:cpd00776
QYIMSPSDBYKPPY-RSKUXYSASA-N 		Squalene 2,3-oxide
(3S)-2,3-Epoxy-2,3-dihydrosqualene
(3S)-2,3-epoxy-2,3-dihydrosqualene
(3S)-2,3-epoxysqualene
(S)-2,3-Epoxysqualene
(S)-Squalene-2,3-epoxide
(S)-squalene-2,3-epoxide
2,3-EDSQ
2,3-Oxidosqualene
2,3-epoxisqualene
2,3-oxidosqualene
Squalene 2,3-epoxide
Ssq23epx
oxidosqualene
squalene 2,3-epoxide
squalene 2,3-oxide

hmdb:HMDB0059621
hmdb:HMDB01188
hmdb:HMDB59621
chebi:11026
chebi:11072
chebi:18728
chebi:372
biggM:M_Ssq23epx
keggC:M_C01054
seedM:M_cpd00776
vmhM:M_Ssq23epx 		secondary/obsolete/fantasy identifier